(2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid

C10H15NO5 — CID 57352985

IUPAC(2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid
SMILESC=CCN(CC=C)C(=O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H15NO5/c1-3-5-11(6-4-2)9(14)7(12)8(13)10(15)16/h3-4,7-8,12-13H,1-2,5-6H2,(H,15,16)/t7-,8-/m1/s1
InChIKeyZFSGPQHKSXNPJF-HTQZYQBOSA-N
MW229.23 g/mol
LogP-1.01
Rot. Bonds7

About (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid

(2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 57352985) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID57352985
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid
SMILESC=CCN(CC=C)C(=O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H15NO5/c1-3-5-11(6-4-2)9(14)7(12)8(13)10(15)16/h3-4,7-8,12-13H,1-2,5-6H2,(H,15,16)/t7-,8-/m1/s1
InChIKeyZFSGPQHKSXNPJF-HTQZYQBOSA-N
XLogP-1.01
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 76892270
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
2,3-dihydroxybutanedioic acid;prop-1-ene
CID 172844787
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
CID 79265150
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
2,3-dihydroxybutanedioic acid;oxaldehydic acid
CID 163565865
2-amino-4-methyl-N,N-bis(prop-2-enyl)pentanamide
CID 24700331
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836
(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
CID 87691672

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid (CID 57352985) is (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid is C=CCN(CC=C)C(=O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is ZFSGPQHKSXNPJF-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-5-11(6-4-2)9(14)7(12)8(13)10(15)16/h3-4,7-8,12-13H,1-2,5-6H2,(H,15,16)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid?
(2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 229.23 g/mol, XLogP of -1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 57352985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).